N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine

C8H13F4NO — CID 62599030

IUPACN-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO/c1-2-3-13-4-5-14-6-8(11,12)7(9)10/h2,7,13H,1,3-6H2
InChIKeyGVKABQLTCRZGDV-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.68
Rot. Bonds8

About N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine

N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine (PubChem CID 62599030) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine
PubChem CID62599030
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC NameN-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO/c1-2-3-13-4-5-14-6-8(11,12)7(9)10/h2,7,13H,1,3-6H2
InChIKeyGVKABQLTCRZGDV-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine (CID 62599030) is N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine is C=CCNCCOCC(F)(F)C(F)F.
What is the InChIKey of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine?
The InChIKey is GVKABQLTCRZGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c1-2-3-13-4-5-14-6-8(11,12)7(9)10/h2,7,13H,1,3-6H2.
What are the key properties of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine?
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine has a molecular weight of 215.19 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 62599030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).